Structure of PDB 8anp Chain A Binding Site BS01

Receptor Information
>8anp Chain A (length=417) Species: 446 (Legionella pneumophila) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HDKIITGKKIIFSQSVAKDQTKNLSSFLSERFYSVNQSHNHSIIIGSSLS
HQENDIEHDTILDTSGVLVTTDTNGIVNGARVAITDGLGGGNGDQEEDDE
IYRVSHSSCENFLNCDQNIDTTLSLITQPTEASMAAFIYQNHPGKGYIGE
FANIGAGLIIILDKRFKIKHMVSACHIYRGFGTWTPPSLQALATTANKDA
LLVRQTLKLAEGDIIISMTDGVWGELKTSLIAQTNDRRDIGVDKEYFKTL
FDELTDAPYPSSFDIARIITQRAMSRSLERRKTLIKLINEIEQQHFETAQ
TLKAILFEEIPLEMVMHDLKSRTVGDCSTINVTRIPYHLDELIRGFINYP
EKHQILAPLFKARVKSEADLEEAFHRLSLEMVQPEIECPISETHFERAFK
KETLDKTQAVLTHYFRI
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain8anp Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8anp Dephosphocholination by Legionella effector Lem3 functions through remodelling of the switch II region of Rab1b.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		D105 D254 D394
Binding residue
(residue number reindexed from 1)		D86 D220 D326
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.3.-
External links
PDB RCSB:8anp, PDBe:8anp, PDBj:8anp
PDBsum8anp
PubMed37076474
UniProtQ5ZXN5|LEM3_LEGPH Phosphocholine hydrolase Lem3 (Gene Name=lem3)

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